5-thiophen-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide

C17H13F3N2O2S — CID 95871145

IUPAC5-thiophen-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2cccs2)on1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2O2S/c1-10(11-4-2-5-12(8-11)17(18,19)20)21-16(23)13-9-14(24-22-13)15-6-3-7-25-15/h2-10H,1H3,(H,21,23)/t10-/m1/s1
InChIKeyWLCKKXLHDCKRBQ-SNVBAGLBSA-N
MW366.36 g/mol
LogP4.91
Rot. Bonds4

About 5-thiophen-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide

5-thiophen-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 95871145) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is 5-thiophen-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-thiophen-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
PubChem CID95871145
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC Name5-thiophen-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2cccs2)on1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2O2S/c1-10(11-4-2-5-12(8-11)17(18,19)20)21-16(23)13-9-14(24-22-13)15-6-3-7-25-15/h2-10H,1H3,(H,21,23)/t10-/m1/s1
InChIKeyWLCKKXLHDCKRBQ-SNVBAGLBSA-N
XLogP4.91
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
CID 166209272
N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 95243126
(2S)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 61137275
(2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 79010933
2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 62788576
N-(1-hydroxypropan-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 43418627
N-[(S)-phenyl(thiophen-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 92574304
methyl 3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoate
CID 43422688
5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide
CID 79691672
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 106353110
3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 43356462
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 78778446

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-thiophen-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide (CID 95871145) is 5-thiophen-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-thiophen-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-thiophen-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide is C[C@@H](NC(=O)c1cc(-c2cccs2)on1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-thiophen-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is WLCKKXLHDCKRBQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c1-10(11-4-2-5-12(8-11)17(18,19)20)21-16(23)13-9-14(24-22-13)15-6-3-7-25-15/h2-10H,1H3,(H,21,23)/t10-/m1/s1.
What are the key properties of 5-thiophen-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide?
5-thiophen-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 366.36 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95871145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).